Vitas-M small molecule compound
ethyl {[2-(2-methoxy-4-{(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
Catalog ID
STK001778
SMILES CCOC(=O)CSCCOc1ccc(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H26N2O7S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O7S/c1-4-33-22(28)15-35-11-10-34-20-9-8-17(14-21(20)32-3)13-19-23(29)26-25(31)27(24(19)30)18-7-5-6-16(2)12-18/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,26,29,31)/b19-13-InChIKey
MZWWQTDGCXIAML-UYRXBGFRSA-NSynonyms
CCOC(=O)CSCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C)OC
CCOC(=O)CSCCOc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
ETHYL((2(2METHOXY4((Z)(1(3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ETHYL)SULFANYL)ACETATE
ETHYL2(2(2METHOXY4((1(3METHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENOXY)ETHYLTHIO)ACETATE
ETHYL2(2(2METHOXY4((Z)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ETHYLSULFANYL)ACETATE
InChI=1SC25H26N2O7Sc143322(28)1535111034209817(1421(20)323)131923(29)2625(31)27(24(19)30)1875616(2)1218h591214H4101115H213H3(H262931)b1913
MFCD01873578
STK001778
ZINC000008843102
ZINC08843102
ZINC8843102
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.